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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-25 22:03:31 +00:00
parent 8f6a8d13d5
commit 66c5617afb
83 changed files with 10821 additions and 639 deletions
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11
src/set.cpp
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@ -490,14 +490,15 @@ void Set::set(int keyword)
// reset any or all of 3 image flags
} else if (keyword == IMAGE) {
int xbox = (atom->image[i] & 1023) - 512;
int ybox = (atom->image[i] >> 10 & 1023) - 512;
int zbox = (atom->image[i] >> 20) - 512;
int xbox = (atom->image[i] & IMGMASK) - IMGMAX;
int ybox = (atom->image[i] >> IMGBITS & IMGMASK) - IMGMAX;
int zbox = (atom->image[i] >> IMG2BITS) - IMGMAX;
if (ximageflag) xbox = ximage;
if (yimageflag) ybox = yimage;
if (zimageflag) zbox = zimage;
atom->image[i] = ((zbox + 512 & 1023) << 20) |
((ybox + 512 & 1023) << 10) | (xbox + 512 & 1023);
atom->image[i] = ((zbox + (tagint) IMGMAX & IMGMASK) << IMG2BITS) |
((ybox + (tagint) IMGMAX & IMGMASK) << IMGBITS) |
(xbox + IMGMAX & IMGMASK);
// set dipole moment